MMsINC Database Search


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MMsINC code: MMs00584586

Type: Neutral
Formula: C₁₇H₂₅NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N(C)C1CCCCC1

InChI:

InChI=1/C17H25NO4/c1-18(13-8-6-5-7-9-13)17(19)12-10-14(20-2)16(22-4)15(11-12)21-3/h10-11,13H,5-9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.028 kcal/mol

Physical Properties
Molecular Weight: 307.39 g/mol	logS: -3.0473	SlogP: 3.1171	Reactive groups: 0

Topological Properties
Globularity: 0.0581597	Sterimol/B1: 2.23681	Sterimol/B2: 4.56849	Sterimol/B3: 5.08571
Sterimol/B4: 6.44677	Sterimol/L: 16.4237

Surface and Volume Properties
Accessible surface: 562.141	Positive charged surface: 469.244	Negative charged surface: 92.8969	Volume: 307.75
Hydrophobic surface: 511.768	Hydrophilic surface: 50.373

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.